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The Structures of Thiosulfuric Acid H 2 S 2 O 3 and Its Monoanion HS 2 O 3 −
Author(s) -
Miaskiewicz Karol,
Steudel Ralf
Publication year - 1992
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.199200581
Subject(s) - decomposition , ab initio , hartree–fock method , basis set , set (abstract data type) , computational chemistry , ab initio quantum chemistry methods , chemistry , crystallography , atomic physics , basis (linear algebra) , mathematics , molecule , physics , geometry , density functional theory , computer science , organic chemistry , programming language
Not formula A widely reported in textbooks , but the SH form B probably represents the correct structure of thiosulfuric acid. This was established by Hartree‐Fock/ab initio calculations with a 6–311 G ** basis set and MP2 to MP4 refinements. The same is true for the monoanion. In the more stable HSSO 3 −isomer an unusually long SS bond is observed, which is probably significant in the decomposition of thiosulfuric acid in water.